General Information of the Compound
| Compound ID |
CP0576029
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloro-6-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,4-dihydropyrazine-2,3-dione
Show/Hide
|
||||||||||||||||||
| Formula |
C13H10ClF3N2O2
|
||||||||||||||||||
| Molecular Weight |
318.682
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(CCc2[nH]c(=O)c(=O)[nH]c2Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H10ClF3N2O2/c14-10-9(18-11(20)12(21)19-10)6-3-7-1-4-8(5-2-7)13(15,16)17/h1-2,4-5H,3,6H2,(H,18,20)(H,19,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YVUBTMDDRYHPIQ-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound